AKos
Consulting & Solutions GmbH
a chemoinformatics company

 

 

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AKos GmbH Newsletter April 2009

Content:

CWM Global Search

SN6

Isentris Personal Edition

Databases

Synthesis Procedure Development

Tip for searching ACD

·         Symyx‘ SN6 integrates data from research, development and production. A system that can be configured for many different labs.

·         Symyx markets the SPRESI database. A fairly priced database with 3.5 million reactions.

·         AKos GmbH released CWM Global Search with a new user interface and the possibility to search the Internet by structure, CAS Registry Number® and Synonym. CAS Registry Number is a registered trademark of the American Chemical Society (ACS). All Rights Reserved.

AKos Consulting & Solutions Deutschland GmbH
Telephone
+49 7627 970068
Fax
+49 7627 970067
Fax to Mail
+49 1805 744743 8318
Austr. 26
79585 Steinen
Germany
E-Mail
General Information:

CWM Global Search

„The information on the Internet is of low quality!” We don’t want to argue this point, but we think that organizations like NCI, EMBL, and many others spend a lot of money and effort to publish quality material for free.

We have collected 25 excellent sources and offer one user interface to all these different databases. You can search by full structure, CAS Registry Number® and Synonym. CAS Registry Number is a registered trademark of the American Chemical Society (ACS). All Rights Reserved.

CWM Global Search is only 120 Euro per year. See yourself and download a 90 day free trial version from www.cwmglobalsearch.com.

 

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Please forward this to a friend, who might be interested.

 

 

Can you please pull together all the biological test results for compound XR11_12, in comparison to all the XR11 compounds, and when you are at it, please get me also the analytical results?

 

SN6

Symyx offers a vision to streamline research & development. Similar to SAP that revolutionized the workflow in production and processing Symyx will help to concentrate the manifold efforts in research.  

“Research must be creative and cannot be predicted!”

I hope creative does not mean that a researcher repeats 30% of experiments because he is unable to find the results and not predictable means that all the information gets lost, once an employee leaves a company.  

You have a real chance of improving the outcome of research with one software that can be configured for  

  • the synthetic chemist,

  • medicinal scientist,

  • analytical chemists,

  • the scientists in formulation,

  • processing and

  • production

to enter, collect and make searchable all data that research & development produces.  

Obviously it is not Symyx that will revolutionize research, it will be you, armed with the right tool. 

Several large and small customers have decided to equip all researchers with SN6. Analytical chemists have now a configurable tool to do

  • routine testing,

  • stability measurements,

  • raw material testing,

  • calibrating instruments to name only a few applications.

 March 28, the version configurable for the synthetic and medicinal chemist will be released. This version will then include all the chemistry of former MDL, also for reactions. The whole scope for parallel chemistry will be released later in 2009. 

 

Good bye ISIS/Base. You did an excellent job for 18 years. First release was in 1991!

Isentris Personal Edition

The release of Isentris Personal Edition (IPE) marks the last product that was required to replace the highly successful ISIS product line. IPE contains Symyx Draw that is replacing ISIS/Draw and Isentris for Excel that replaces ISIS for Excel. All three products are combined in IPE.

Symyx Draw is free of charge for academia and personal use. IPE is the ideal tool for students to record their research data. This will improve your research and your  thesis.

 

ISIS/Base is still on the pricelist, and is still useful when exchanging whole databases with colleagues. IPE is based on MS SQL Server Express. You can handle much more complex data, and you have the identical chemistry features as in the large system.

Databases

All Symyx databases can be accessed from SN6. This means you can search online, corporate, commercial and private data with one query. An electronic journal user will appreciate that he can search reaction databases online and use the found reaction directly in his private area. If you think this was easy, remember that this vision was created in 1978, over 30 years ago, and the seamless integration will be finally realized in 2009. Some companies made already remarkable efforts in this direction, but nobody achieved this quality of integration.

Spresi and its 3.6 million reactions will be added to the Symyx databases.

 

 

Synthesis Procedure Development

AKos GmbH is a broker for selling screening compounds. Our database contains ca. 7 million compounds. About 2 million compounds are on stock at the suppliers, and 3 million compounds can be quickly resynthesized since they have synthesized once.

We also offer as service to develop syntheses for you. We have several labs that work extremely well and are suited for such tasks. 

Screening compounds
Telephone (Greta Auf der Maur) +49 7621 162 2778
FAX     +49 7621 162 2779
Please use the keyword "Beilstein" in the reference line to avoid the SPAM filters.
 

Tip for searching ACD

In one way (Park-Davis group) of synthesizing benzodiazepines one condenses resin-bound amino acids via transimidation to the starting materials. How would you search for resin bound amino acids in ACD?

For instance search BOC-protected resin-bound amino acids with these two queries:

 
Please register before you can download free software from Symyx.

You need to download Chime to see the structures from here.

 

You have to combine the the second structure with a data search:

and NAME like "%resin%"

the "Name" is not "Chemical Name", but "Name" under "Packed Name"

 

AKos GmbH is the marketer for Symyx technologies Inc. for small to medium companies and universities in parts of Switzerland, parts of Germany, Munich area, former East Germany, Austria and all countries East and South of Graz including Turkey and Kazakhstan. CWM Global Search is produced by AKos GmbH and marketed world-wide.

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